SCHEMBL27503545

SCHEMBL27503545

Fc1cc2ncc(-c3nc4ccccc4[nH]3)c(C3CCNCC3)c2cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 4/20 0.45
PKM P14618 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
FOXO1 Q12778 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
WNT1 P04628 1/20 0.39
TGFBR1 P36897 1/20 0.39
CBFB Q13951 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27597321 0.94 NPC1 (0.43) NPC1RAB9AALDH1A1PKML3MBTL1
SCHEMBL4690356 0.76 PDGFRB (0.53) PDGFRBFGFR1KDRCHEK1JAK1
SCHEMBL27520970 0.73 CHEK1 (0.50) NPC1RAB9AALDH1A1PKMKDM4E
SCHEMBL4285737 0.69 CHEK1 (0.61) CDK2ADORA3PDGFRBFGFR1KDR
SCHEMBL17566737 0.69 WNT1 (0.64) CDK2WNT1TGFBR1PDPK1FGFR1
SCHEMBL10264582 0.68 ATR (0.62) ALDH1A1HPGDSMN1; SMN2NPSR1ATR
SCHEMBL4285975 0.67 CHEK1 (0.64) NPC1RAB9AALDH1A1KDM4ECDK2
SCHEMBL4286313 0.67 CHEK1 (0.64) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL4291461 0.66 CHEK1 (0.62) CDK2CHEK1JAK1
SCHEMBL3379867 0.65 CHEK1 (0.75) CDK2PDGFRBFGFR1KDRCHEK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100526312-C Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2009-08-12 CN disclosed
CN-1692112-A Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2005-11-02 CN disclosed
CN-1659165-A Quinolinone derivatives CHIRON CORP (US) 2005-08-24 CN disclosed
CN-1483028-A Quinolinone derivatives as tyrosine kinase inhibitors ϣ 2004-03-17 CN disclosed
CN-1226283-A Recombinant enzyme with dextranase activity NOVO NORDISK AS (DK) 1999-08-18 CN disclosed